5I1W

Crystal structure of CrmK, a flavoenzyme involved in the shunt product recycling mechanism in caerulomycin biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	63.110, 95.200, 98.040
Unit cell angles	94.73, 96.56, 105.20

Refinement procedure

Resolution	45.600 - 2.150
R-factor	0.1707
Rwork	0.168
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i1v
RMSD bond length	0.015
RMSD bond angle	1.705
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.600	45.618	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge		0.066	0.699
Number of reflections	114678
<I/σ(I)>	5	7.7	0.7
Completeness [%]	97.0	98	96.1
Redundancy	2.4	2.4	2.4
CC(1/2)	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	295	0.96 M sodium citrate