6DD6

Crystal structure of bacterial (6-4) photolyase PhrB from in situ serial Laue diffraction

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	294
Detector technology	CCD
Collection date	2016-02-11
Detector	RAYONIX MX340-HS
Wavelength(s)	1-1.25
Spacegroup name	P 21 21 2
Unit cell lengths	99.700, 106.800, 57.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.680 - 2.300
R-factor	0.1693
Rwork	0.166
R-free	0.23470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dja
RMSD bond length	0.009
RMSD bond angle	1.127
Data reduction software	Precognition (5.2)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.400
High resolution limit [Å]	2.300	2.300
Number of reflections	27730
<I/σ(I)>	20.9
Completeness [%]	99.3	96.7
Redundancy	15.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.6	294	1.7 mg/mL protein, 9-13% PEG 4000, 6% isopropanol, and 50 mM sodium citrate buffer at pH 5.6