3DQO

Structure of the Yellow Fluorescent Protein Citrine Frozen at 1 Atmosphere Number 2: Structure 2 in a Series of 26 High Pressure Structures

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-01
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	51.387, 62.379, 70.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.140 - 1.500
R-factor	0.21779
Rwork	0.216
R-free	0.25903
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1HUY WITH RESIDUE 80 MUTATED TO GLUTAMINE
RMSD bond length	0.028
RMSD bond angle	2.388
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.660	39.660	1.580
High resolution limit [Å]	1.500	4.740	1.500
Rmerge	0.074	0.051	0.797
Number of reflections	28589
<I/σ(I)>	6.2	7.9	1
Completeness [%]	77.2	91.7	35
Redundancy	3.4	3.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	Crystals grown by seeding using a Seed Bead (HR2-320, Hampton Research) in 5% PEG 3350, 50 mM Na Acetate, 50 mM NH4 Acetate, pH 5.0. Crystals were grown at 4 deg C and at ambient pressure, VAPOR DIFFUSION, HANGING DROP, temperature 277K