4UCS

Fragment bound to H.influenza NAD dependent DNA ligase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-14
Detector	RIGAKU CCD
Spacegroup name	P 43 21 2
Unit cell lengths	136.077, 136.077, 55.951
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.020 - 1.900
R-factor	0.1817
Rwork	0.180
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.090	0.510
Number of reflections	41899
<I/σ(I)>	14	3.7
Completeness [%]	99.9	100
Redundancy	8	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1