3SID

Crystal structure of oxidized Symerythrin from Cyanophora paradoxa, azide adduct at 50% occupancy

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97650
Spacegroup name	P 32
Unit cell lengths	82.009, 82.009, 46.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.740 - 1.400
R-factor	0.11727
Rwork	0.115
R-free	0.15618
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qhb
RMSD bond length	0.025
RMSD bond angle	2.101
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.740	1.480
High resolution limit [Å]	1.400	1.400
Rmerge		0.441
Number of reflections	68857
<I/σ(I)>	18.9	5.6
Completeness [%]	100.0	100
Redundancy	12.2	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	279	25% PEG 3350, 0.1M BisTris, 0.35M NH4Cl, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K