3DQA

Structure of the Yellow Fluorescent Protein Citrine Frozen at 1250 Atmospheres Number 4: Structure 14 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	2006-02-26
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	51.462, 63.340, 71.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.440
R-factor	0.205
Rwork	0.203
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1HUY WITH RESIDUE 80 MUTATED TO GLUTAMINE
RMSD bond length	0.031
RMSD bond angle	2.459
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.940
High resolution limit [Å]	1.440	1.440
Rmerge	0.060	0.342
Number of reflections	33827
<I/σ(I)>	8.7	2.2
Completeness [%]	78.5	100
Redundancy	7.8	7.9

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